SCHEMBL3544043

SCHEMBL3544043

O=C1OC(CN2CCC(CO)CC2)CN1c1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.39
PIK3C3 Q8NEB9 1/20 0.37
ENPP2 Q13822 1/20 0.36
CALML3 P27482 4/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3544039 1.00 SIGMAR1 (0.39) SIGMAR1PIK3C3ENPP2CALML3MAOA
SCHEMBL3544042 1.00 SIGMAR1 (0.39) SIGMAR1PIK3C3ENPP2CALML3MAOA
SCHEMBL3538978 0.92 SIGMAR1 (0.40) SIGMAR1PIK3C3ENPP2CYP3A4CYP2D6
SCHEMBL13118371 0.92 SIGMAR1 (0.40) SIGMAR1PIK3C3ENPP2CYP3A4CYP2D6
SCHEMBL3543054 0.90 SIGMAR1 (0.40) SIGMAR1PIK3C3ENPP2CYP3A4CYP2D6
SCHEMBL3543048 0.90 SIGMAR1 (0.40) SIGMAR1PIK3C3ENPP2CYP3A4CYP2D6
SCHEMBL3543053 0.90 SIGMAR1 (0.40) SIGMAR1PIK3C3ENPP2CYP3A4CYP2D6
SCHEMBL3548440 0.89 SIGMAR1 (0.42) SIGMAR1PIK3C3ENPP2
SCHEMBL3548438 0.89 SIGMAR1 (0.42) SIGMAR1PIK3C3ENPP2
SCHEMBL3548444 0.89 SIGMAR1 (0.42) SIGMAR1PIK3C3ENPP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP claimed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US claimed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US claimed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 EP claimed
EP-1854792-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-12-26 EP disclosed
US-7820693-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US disclosed
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-01-29 US disclosed
EP-1854792-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-11-14 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090030195-A1 1-(2H)-ISOQUINOLONE DERIVATIVE NQO1, NR5A1, SRD5A1 SIGMAR1 1481/4885PIK3C3 1751/4885ENPP2 2988/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.